Structure

Vinleurosine

CAS
23360-92-1
Catalog Number
ACM23360921
Category
Other Products
Molecular Weight
809
Molecular Formula
C46H56N4O9

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Specification

Synonyms
LEUROSINE;4'-deoxy-3',4'-epoxy-,(3'-alpha,4'-alpha)-vincaleukoblastin;4'-deoxy-3',4'-epoxy-,(3'alpha,4'alpha)-vincaleukoblastin;amotin;nsc-528004;Vinleurosine;4b-Acetoxy-3,4epoxy-3-hydroxy-16-methoxy-(4 H)-vincaleukoblast-6-ene-23,22dioic Acid Dimethyl E
InChI
InChI=1S/C46H56N4O9/c1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3/t27-,36+,37-,38+,39+,42+,43-,44+,45-,46-/m0/s1
InChI Key
LPGWZGMPDKDHEP-NVDFJPPOSA-N
Melting Point
202-205 ºC
Density
1.39 g/cm³
Complexity
1750
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
10
Exact Mass
808.40472938
Heavy Atom Count
59
Hydrogen Bond Acceptor Count
12
Hydrogen Bond Donor Count
2
Isomeric SMILES
CC[C@]12CN3CCC4=C([C@](C[C@@H](C3)[C@H]1O2)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41
Monoisotopic Mass
808.40472938
Physical State
Powder
Rotatable Bond Count
10
Topological Polar Surface Area
146 Ų
What are the synonyms for Vinleurosine?

The synonyms for Vinleurosine are 4'-deoxy-3',4'-epoxy-,(3'-alpha,4'-alpha)-vincaleukoblastin; amotin; Vincristine EP Impurity F; and more.

What is the chemical formula of Vinleurosine?

The chemical formula of Vinleurosine is C46H56N4O9.

What is the melting point of Vinleurosine?

The melting point of Vinleurosine is 202-205℃.

How is Vinleurosine purified?

Vinleurosine is best purified by recrystallization from acetonitrile.

What is the density of Vinleurosine?

The density of Vinleurosine is 1.39.

What is the predicted pKa value of Vinleurosine?

The predicted pKa value of Vinleurosine is 11.36±0.60.

What is the usage of Vinleurosine?

Vinleurosine is an antitumor compound derived from Vinca Rosea.

What is the toxicity data for Vinleurosine in dogs?

The LDLo for dogs through intraperitoneal injection is 12mg/kg. It causes gastrointestinal effects such as nausea or vomiting and hypermotility, diarrhea.

What is the HazardClass of Vinleurosine?

The HazardClass of Vinleurosine is 6.1(a).

Where can Vinleurosine be found?

Vinleurosine can be found in Vinqa rosea, a plant that yields this complex dimeric alkaloid.

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